2-(cyclopropyloxymethoxy)benzaldehyde

C11H12O3 — CID 141326777

IUPAC2-(cyclopropyloxymethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCOC1CC1
InChIInChI=1S/C11H12O3/c12-7-9-3-1-2-4-11(9)14-8-13-10-5-6-10/h1-4,7,10H,5-6,8H2
InChIKeyRZBLGTLRXDOMFP-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.01
Rot. Bonds5

About 2-(cyclopropyloxymethoxy)benzaldehyde

2-(cyclopropyloxymethoxy)benzaldehyde (PubChem CID 141326777) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(cyclopropyloxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(cyclopropyloxymethoxy)benzaldehyde
PubChem CID141326777
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(cyclopropyloxymethoxy)benzaldehyde
SMILESO=Cc1ccccc1OCOC1CC1
InChIInChI=1S/C11H12O3/c12-7-9-3-1-2-4-11(9)14-8-13-10-5-6-10/h1-4,7,10H,5-6,8H2
InChIKeyRZBLGTLRXDOMFP-UHFFFAOYSA-N
XLogP2.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropyloxymethoxy)benzaldehyde?
The IUPAC name of 2-(cyclopropyloxymethoxy)benzaldehyde (CID 141326777) is 2-(cyclopropyloxymethoxy)benzaldehyde.
What is the SMILES notation for 2-(cyclopropyloxymethoxy)benzaldehyde?
The canonical SMILES for 2-(cyclopropyloxymethoxy)benzaldehyde is O=Cc1ccccc1OCOC1CC1.
What is the InChIKey of 2-(cyclopropyloxymethoxy)benzaldehyde?
The InChIKey is RZBLGTLRXDOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-9-3-1-2-4-11(9)14-8-13-10-5-6-10/h1-4,7,10H,5-6,8H2.
What are the key properties of 2-(cyclopropyloxymethoxy)benzaldehyde?
2-(cyclopropyloxymethoxy)benzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropyloxymethoxy)benzaldehyde is sourced from PubChem (CID 141326777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).